Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 3/20 | 0.36 |
| ▸ | SETDB1 | Q15047 | 1/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.34 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.34 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.34 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3715551 | 0.84 | CYP2A6 (0.41) | CYP2A6ALDH1A1FFAR1GSK3BFFAR4 | |
| SCHEMBL13199458 | 0.82 | CYP2A6 (0.48) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| SCHEMBL3872780 | 0.81 | GSK3B (0.39) | CYP2A6ALDH1A1GSK3BLOXL2SLC6A4 | |
| SCHEMBL14498203 | 0.81 | CYP2A6 (0.39) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| SCHEMBL18934890 | 0.80 | LOXL2 (0.47) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| SCHEMBL8436238 | 0.80 | CYP2A6 (0.41) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| SCHEMBL25786405 | 0.80 | CYP2A6 (0.41) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| SCHEMBL18179295 | 0.80 | CYP2A6 (0.41) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| SCHEMBL14496873 | 0.80 | CYP2A6 (0.41) | CYP2A6ALDH1A1FFAR1FFAR4AR | |
| SCHEMBL18179299 | 0.78 | MEN1 (0.44) | CYP2A6ALDH1A1FFAR1FFAR4AR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230234958-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | D. E. SHAW RESEARCH, LLC | 2023-07-27 | — | — | US | disclosed |
| US-20220315586-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | SCHRODINGER, INC. | 2022-10-06 | — | — | US | disclosed |
| US-10934302-B1 | SHP2 phosphatase inhibitors and methods of use thereof | RELAY THERAPEUTICS, INC. (US) | 2021-03-02 | — | — | US | disclosed |
| US-7612075-B2 | Substituted oxoazaheterocyclyl compounds | AVENTIS PHARMACEUTICALS INC. (US) | 2009-11-03 | — | — | US | disclosed |
| US-20040102450-A1 | Substituted oxoazaheterocyclyl compounds | AVENTIS PHARMACEUTICALS INC. (US) | 2004-05-27 | — | — | US | disclosed |
| EP-1051176-A4 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | AVENTIS PHARM PROD INC (US) | 2002-06-12 | — | — | EP | disclosed |
| EP-1208097-A2 | SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS | Aventis Pharmaceuticals Inc. (US) | 2002-05-29 | — | — | EP | disclosed |
| US-6376512-B1 | FOR TREATING PHYSIOLOGICAL CONDITION IN PATIENT WHEREIN SAID CONDITION IS ASSOCIATED WITH A PHYSIOLOGICALLY DETRIMENTAL LEVELS OF INSULIN, GLUCOSE, FREE FATTY ACIDS, OR TRIGLYCERIDES | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-04-23 | — | — | US | disclosed |
| WO-2001007436-A2 | SUBSTITUTED OXOAZAHETEROCYCLYL COMPOUNDS | AVENTIS PHARMACEUTICALS INC. (US) | 2001-02-01 | — | — | WO | disclosed |
| EP-1051176-A1 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | Aventis Pharmaceuticals Products Inc. (US) | 2000-11-15 | — | — | EP | disclosed |
| WO-2000032590-A1 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 2000-06-08 | — | — | WO | disclosed |
| WO-1999037304-A1 | SUBSTITUTED OXOAZAHETEROCYCLYL FACTOR Xa INHIBITORS | AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) | 1999-07-29 | — | — | WO | disclosed |
| US-5059610-A | QUINOLINE DERIVATIVES AND THEIR USE AS ANTAGONISTS OF LEUKOTRIENE D4 | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1991-10-22 | — | — | US | disclosed |
| US-4920132-A | Quinoline derivatives and use thereof as antagonists of leukotriene D4 | RORER PHARMACEUTICAL CORP. (US) | 1990-04-24 | — | — | US | disclosed |
| WO-1989004305-A1 | QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 | RORER INTERNATIONAL (OVERSEAS) INC. (US) | 1989-05-18 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20230234958-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | PTPRCAP, PTPN22, PTPN1 | CYP2A6 3676/4885ALDH1A1 3280/4885FFAR1 2629/4885 |
| US-20040102450-A1 | Substituted oxoazaheterocyclyl compounds | F13B, F9, F11 | CYP2A6 165/4885ALDH1A1 3776/4885FFAR1 4365/4885 |
| US-10934302-B1 | SHP2 phosphatase inhibitors and methods of use thereof | PTPRCAP, PTPRJ, PTPRC | CYP2A6 4303/4885ALDH1A1 3858/4885FFAR1 3459/4885 |
| US-20220315586-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | PTPRCAP, PTPN22, PTPN1 | CYP2A6 3676/4885ALDH1A1 3280/4885FFAR1 2629/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.